⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3160531 | 1.00 | — | — | |
| SCHEMBL8600554 | 0.72 | — | — | |
| SCHEMBL8600550 | 0.72 | — | — | |
| SCHEMBL10543865 | 0.71 | — | — | |
| SCHEMBL8601849 | 0.69 | — | — | |
| SCHEMBL8601851 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL15902142 | 0.67 | — | — | |
| SCHEMBL6657788 | 0.67 | — | — | |
| Bromide SCHEMBL6305657 | 0.67 | — | — | |
| SCHEMBL8943353 | 0.67 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-60190744-A | — | — | None | — | — | JP | disclosed |
| US-8703692-B2 | 7-(alk-1′enyl)-2H-benzo[B][1,4]dioxepin-3(4H)-ones and their use in fragrance applications | GIVAUDAN SA (CH) | 2014-04-22 | — | — | US | disclosed |
| EP-2534143-A1 | 7 - (ALK- 1 ' -ENYL) - 2H-BENZO [B][1, 4]DIOXEPIN- 3 (4H) - ONES AND THEIR USE IN FRAGRANCE APPLICATIONS | Givaudan SA (CH) | 2012-12-19 | — | — | EP | disclosed |
| US-20120309670-A1 | 7-(ALK-1'-ENYL)-2H-BENZO[B][1,4]DIOXEPIN-3(4H)-ONES AND THEIR USE IN FRAGRANCE APPLICATIONS | GIVAUDAN SA (CH) | 2012-12-06 | — | — | US | disclosed |
| WO-2011098472-A1 | 7 - (ALK- 1 ' -ENYL) - 2H-BENZO [B] [1, 4] DIOXEPIN- 3 (4H) - ONES AND THEIR USE IN FRAGRANCE APPLICATIONS | GIVAUDAN SA (CH) | 2011-08-18 | — | — | WO | disclosed |
| US-20040229910-A1 | Therapeutic compounds | N.V. ORGANON (NL) | 2004-11-18 | — | — | US | disclosed |
| EP-0898566-B1 | SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION | AKZO NOBEL NV (NL) | 2002-11-06 | — | — | EP | disclosed |
| US-20020037885-A1 | Therapeutic compounds | DIJCKS FREDERICUS ANTONIUS (NL) | 2002-03-28 | — | — | US | disclosed |
| US-6313139-B1 | ADMINISTERING BENZYLAMINE DERIVATIVE FOR THERAPY OF PSYCHIATRIC DISORDER IN MAMMALS | AKZO NOBEL N. V. (NL) | 2001-11-06 | — | — | US | disclosed |
| US-6080773-A | USEFUL FOR TREATMENT OF DEPRESSION, ANXIETY OR PSYCHOSIS | AKZO NOBEL, N.V. (NL) | 2000-06-27 | — | — | US | disclosed |
| EP-0898566-A1 | SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION | Akzo Nobel N.V. (NL) | 1999-03-03 | — | — | EP | disclosed |
| US-5770741-A | FUNGICIDE INTERMEDIATE | SANDOZ LTD. (CH) | 1998-06-23 | — | — | US | disclosed |
| WO-1997040027-A1 | SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION | AKZO NOBEL N.V. (NL) | 1997-10-30 | — | — | WO | disclosed |
| EP-0321409-B1 | CYCLOPROPANE DERIVATIVES | SANDOZ AG (CH) | 1993-03-17 | — | — | EP | disclosed |
| US-4973767-A | SUBSTITUTED ETHANOLS, CHEMICAL INTERMEDIATES FOR FUNGICIDES | SANDOZ LTD. (CH) | 1990-11-27 | — | — | US | disclosed |
| EP-0321409-A2 | Cyclopropane derivatives | SANDOZ AG (CH) | 1989-06-21 | — | — | EP | disclosed |
| JP-S60190744-A | PREPARATION OF AMINO ACID DERIVATIVE | AJINOMOTO CO INC | 1985-09-28 | — | — | JP | disclosed |